1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-(2-phenoxyethoxy)ethanone

C17H26N2O4 — CID 95352392

IUPAC1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-(2-phenoxyethoxy)ethanone
SMILESC[C@@H](O)CN1CCN(C(=O)COCCOc2ccccc2)CC1
InChIInChI=1S/C17H26N2O4/c1-15(20)13-18-7-9-19(10-8-18)17(21)14-22-11-12-23-16-5-3-2-4-6-16/h2-6,15,20H,7-14H2,1H3/t15-/m1/s1
InChIKeyLGAAZTWFWBHGBA-OAHLLOKOSA-N
MW322.40 g/mol
LogP0.61
Rot. Bonds8

About 1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-(2-phenoxyethoxy)ethanone

1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-(2-phenoxyethoxy)ethanone (PubChem CID 95352392) has the molecular formula C17H26N2O4 and a molecular weight of 322.40 g/mol. Its IUPAC name is 1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-(2-phenoxyethoxy)ethanone.

Molecular Properties

Compound Name1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-(2-phenoxyethoxy)ethanone
PubChem CID95352392
Molecular FormulaC17H26N2O4
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC Name1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-(2-phenoxyethoxy)ethanone
SMILESC[C@@H](O)CN1CCN(C(=O)COCCOc2ccccc2)CC1
InChIInChI=1S/C17H26N2O4/c1-15(20)13-18-7-9-19(10-8-18)17(21)14-22-11-12-23-16-5-3-2-4-6-16/h2-6,15,20H,7-14H2,1H3/t15-/m1/s1
InChIKeyLGAAZTWFWBHGBA-OAHLLOKOSA-N
XLogP0.61
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxylic acid
CID 119166059
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(2-phenoxyethoxy)ethanone
CID 55756147
2-(2-methoxyethoxy)-1-[4-(2-phenoxyacetyl)-1,4-diazepan-1-yl]ethanone
CID 108547727
1-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-propoxyethanone
CID 95345396
2-(2-ethylphenoxy)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95606814
1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-4-phenoxybutan-1-one
CID 95348965
1-[4-(2-iodobenzoyl)piperazin-1-yl]-2-(2-phenoxyethoxy)ethanone
CID 55916804
4-(4-fluorophenoxy)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]butan-1-one
CID 95348392
hydron;1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenoxyethanone;chloride
CID 649806
1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone
CID 95607032
1-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-2-(2-phenoxyethoxy)ethanone
CID 46458577
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-(2-phenoxyethoxy)ethanone?
The IUPAC name of 1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-(2-phenoxyethoxy)ethanone (CID 95352392) is 1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-(2-phenoxyethoxy)ethanone.
What is the SMILES notation for 1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-(2-phenoxyethoxy)ethanone?
The canonical SMILES for 1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-(2-phenoxyethoxy)ethanone is C[C@@H](O)CN1CCN(C(=O)COCCOc2ccccc2)CC1.
What is the InChIKey of 1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-(2-phenoxyethoxy)ethanone?
The InChIKey is LGAAZTWFWBHGBA-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-15(20)13-18-7-9-19(10-8-18)17(21)14-22-11-12-23-16-5-3-2-4-6-16/h2-6,15,20H,7-14H2,1H3/t15-/m1/s1.
What are the key properties of 1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-(2-phenoxyethoxy)ethanone?
1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-(2-phenoxyethoxy)ethanone has a molecular weight of 322.40 g/mol, XLogP of 0.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-(2-phenoxyethoxy)ethanone is sourced from PubChem (CID 95352392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).